ADD: first commit

env/rhel7/py-hiqsimulator/test/run.slurm

@@ -1,10 +0,0 @@
-#!/usr/bin/env bash
- 
-#SBATCH -N 4                                     # 4 nodes are requested
-#SBATCH -t 00:03:00                              # Walltime, 3 minutes
-#SBATCH -n 8                                     # 8 processes are requested
-#SBATCH --ntasks-per-socket=1                    # 1 process per allocated socket
-#SBATCH --hint=compute_bound                     # Use all cores in each socket, one thread per core
-#SBATCH --exclusive                              # node should not be shared with other jobs
-
-mpirun  python3 ./examples/teleport_mpi.py       # Execute program

env/rhel7/stable/spack.yaml

@@ -1,54 +0,0 @@
-spack:
-  concretizer:
-    unify: when_possible
-  config:
-    build_stage:
-    - /scratch/spack/spack-stage
-    install_missing_compilers: true
-  definitions:
-  - gcc_mpi:
-    - ^openmpi%gcc
-  - gcc_6.1.0_pckgs:
-    - trilinos@11.14.3 +mpi+cuda cuda_arch=60 ~tpetra
-  - gcc_12.1.0_pckgs:
-    - gromacs@2022.5 +mpi
-    - h5hut@2.0.0rc3 +mpi
-    - lammps@20221222
-    - quantum-espresso@7.0 hdf5=parallel
-    - trilinos@13.4.1
-  - intel_mpi:
-    - ^intel-oneapi-mpi@2021.8.0
-  - intel_pckgs:
-    - gromacs@2022.5
-  - nvhpc_mpi:
-    - ^openmpi%nvhpc
-  - nvhpc_pckgs:
-    - quantum-espresso@7.0 +mpi+cuda hdf5=parallel
-  include:
-  - ../sysconfigs/packages.yaml
-  - ../sysconfigs/compilers.yaml
-  - ../sysconfigs/modules.yaml
-  specs:
-  - gams@31.1.1
-  - matrix:
-    - [$gcc_6.1.0_pckgs]
-    - [$gcc_mpi]
-    - [^openblas]
-    - ['%gcc@6.1.0']
-  - matrix:
-    - [$gcc_12.1.0_pckgs]
-    - [$gcc_mpi]
-    - [^hdf5%gcc@12.1.0]
-    - [^openblas]
-    - ['%gcc@12.1.0']
-  - matrix:
-    - [$intel_pckgs]
-    - [$intel_mpi]
-    - [^intel-oneapi-mkl]
-    - ['%oneapi@2022.2.1']
-  - matrix:
-    - [$nvhpc_pckgs]
-    - [$nvhpc_mpi]
-    - [^hdf5%nvhpc@23.1]
-    - ['%nvhpc@23.1']
-  view: false

env/rhel7/sysconfigs/compilers.yaml

@@ -1,53 +0,0 @@
-compilers:
-  - compiler:
-      environment: {}
-      extra_rpaths: []
-      flags: {}
-      modules: []
-      operating_system: rhel7
-      paths:
-        cc: /usr/bin/gcc
-        cxx: /usr/bin/g++
-        f77: /usr/bin/gfortran
-        fc: /usr/bin/gfortran
-      spec: gcc@4.8.5
-      target: x86_64
-  - compiler:
-      environment: {}
-      extra_rpaths: []
-      flags: {}
-      modules: []
-      operating_system: rhel7
-      paths:
-        cc: /opt/psi/Programming/gcc/9.5.0/bin/gcc
-        cxx: /opt/psi/Programming/gcc/9.5.0/bin/g++
-        f77: /opt/psi/Programming/gcc/9.5.0/bin/gfortran
-        fc: /opt/psi/Programming/gcc/9.5.0/bin/gfortran
-      spec: gcc@9.5.0
-      target: x86_64
-  - compiler:
-      environment: {}
-      extra_rpaths: []
-      flags: {}
-      modules: []
-      operating_system: rhel7
-      paths:
-        cc: /opt/psi/Programming/gcc/12.1.0/bin/gcc
-        cxx: /opt/psi/Programming/gcc/12.1.0/bin/g++
-        f77: /opt/psi/Programming/gcc/12.1.0/bin/gfortran
-        fc: /opt/psi/Programming/gcc/12.1.0/bin/gfortran
-      spec: gcc@12.1.0
-      target: x86_64
-  - compiler:
-      environment: {}
-      extra_rpaths: []
-      flags: {}
-      modules: []
-      operating_system: rhel7
-      paths:
-        cc: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/nvhpc-23.1-6barulbmh2l6pgbzulzcyta4kb57csgu/Linux_x86_64/23.1/compilers/bin/nvc
-        cxx: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/nvhpc-23.1-6barulbmh2l6pgbzulzcyta4kb57csgu/Linux_x86_64/23.1/compilers/bin/nvc++
-        f77: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/nvhpc-23.1-6barulbmh2l6pgbzulzcyta4kb57csgu/Linux_x86_64/23.1/compilers/bin/nvfortran
-        fc: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/nvhpc-23.1-6barulbmh2l6pgbzulzcyta4kb57csgu/Linux_x86_64/23.1/compilers/bin/nvfortran
-      spec: nvhpc@23.1
-      target: x86_64

env/rhel7/sysconfigs/modules.yaml

@@ -1,106 +0,0 @@
-modules:
-  default:
-    tcl:
-      hash_length: 3
-      projections:
-        all: '{name}/{version}-{compiler.name}-{compiler.version}'
-      exclude: ['at-spi2-atk', 'at-spi2-core', 'libxft', 'atk', 'libxi', 'libxkbcommon',' libxkbfile', 'bdftopcf','berkeley-db',
-      'libxrandr','bison@3.8.2', 'libxrender','libxslt','bzip2','libxtst','cairo','libyaml','libzmq','dbus','diffutils','mkfontdir',
-      'docbook-xml', 'mkfontscale','docbook-xsl','msgpack-c', 'elfutils', 'munge','expat', 'ncurses','fixesproto', 'numactl', 'flex',
-      'font-util', 'fontconfig', 'fontsproto','freetype', 'pango', 'gawk', 'pcre', 'pcre2', 'gdbm', 'gdk-pixbuf', 'gettext', 'glib',
-      'gobject-introspection', 'gperf','gtkplus', 'harfbuzz','http-parser', 'inputproto', 'intltool','jansson','jemalloc','json-c',
-      'json-glib','kbproto', 'pixman', 'pkg-config', 'pmix', 'libaio', 'libbsd', 'libedit','libepoxy','libevent','libffi','libfontenc',
-      'libgcrypt','libgpg-error','libice','libiconv', 'libidn2','libjwt', 'libmd',' randrproto', 'readline', 'recordproto','renderproto',
-       'shared-mime-info', 'sqlite','libpciaccess','libpthread-stubs', 'libsm','libsodium','libtool', 'libunistring', 'libx11', 'libxau',
-       'lixcb', 'util-linux-uuid', 'util-macros', 'xcb-proto', 'xextproto', 'xkbcomp','xkbdata','xmlto','xproto','xz','zlib',
-       'libxcrypt', 'libxdmcp', 'libxext', 'libxfixes', 'xtrans', 'zstd', 'librsvg', 'libxfont', 'libxcb', 'fribidi', 'kokkos-nvcc-wrapper']
-      all:
-        autoload: direct
-        conflict:
-          - '{name}'
-        environment:
-          set:
-            ${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
-            ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
-            ${PACKAGE}_VERSION: '{version}'
-      intel-oneapi-mpi:
-        environment:
-          set:
-            I_MPI_CXX: 'mpiicpc'
-            I_MPI_F77: 'mpiifort'
-            I_MPI_F90: 'mpiifort'
-            I_MPI_FC: 'mpiifort'
-            I_MPI_ICC: 'mpiicc'
-            MPIEXEC: 'mpiexec.hydra'
-            MPIFC: 'mpiifort'
-            MPIFORTRAN: 'mpiifort'
-            MPIRUN: 'mpirun'
-      mpich:
-        environment:
-          set:
-            MPIEXEC: ${prefix}/bin/mpiexec
-            MPIFC: ${prefix}/bin/mpif90
-            MPIFORTRAN: ${prefix}/bin/mpif90
-            MPIRUN: ${prefix}/bin/mpirun
-      openblas:
-        environment:
-          set:
-            BLASLIB: ${prefix}/libopenblas.a
-      openmpi:
-        environment:
-          set:
-            MPIEXEC: ${prefix}/bin/mpiexec
-            MPIFC: ${prefix}/bin/mpif90
-            MPIFORTRAN: ${prefix}/bin/mpif90
-            MPIRUN: ${prefix}/bin/mpirun
-      root:
-        environment:
-          set:
-            ROOTSYS: ${prefix}
-      cuda:
-        environment:
-          prepend_path:
-            ${PACKAGE}_PATH: '{prefix}'
-            LIBRARY_PATH: '{prefix}/lib64/stubs:{prefix}/targets/x86_64-linux/lib/stubs'
-          set:
-            ${PACKAGE}_DIR: '{prefix}'
-            ${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
-            ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
-            ${PACKAGE}_PATH: '{prefix}'
-            ${PACKAGE}_VERSION: '{version}'
-      hdf5~mpi:
-        environment:
-          set:
-            ${PACKAGE}_DIR: '{prefix}'
-            ${PACKAGE}_HOME: '{prefix}'
-            ${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
-            ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib:{prefix}/lib64'
-            ${PACKAGE}_PREFIX: '{prefix}'
-            ${PACKAGE}_ROOT: '{prefix}'
-            ${PACKAGE}_VERSION: '{version}'
-  prefix_inspections:
-    '':
-      - CMAKE_PREFIX_PATH
-    bin:
-      - PATH
-    include:
-      - C_INCLUDE_PATH
-      - CPLUS_INCLUDE_PATH
-    lib:
-      - LIBRARY_PATH
-      - LD_LIBRARY_PATH
-    lib/pkgconfig:
-      - PKG_CONFIG_PATH
-    lib64:
-      - LIBRARY_PATH
-      - LD_LIBRARY_PATH
-    lib64/pkgconfig:
-      - PKG_CONFIG_PATH
-    man:
-      - MANPATH
-    share/aclocal:
-      - ACLOCAL_PATH
-    share/man:
-      - MANPATH
-    share/pkgconfig:
-      - PKG_CONFIG_PATH

env/rhel7/sysconfigs/packages.yaml

@@ -1,363 +0,0 @@
----
-packages:
-  all:
-    providers:
-      pkgconfig: [ pkg-config ]
-    target:
-      - haswell
-  autoconf:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: autoconf@2.69
-  automake:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: automake@1.13.4
-  berkeley-db:
-    require: '%gcc@4.8.5'
-  binutils:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: binutils@2.27.44
-  boost:
-    require: '%gcc@4.8.5'
-  bzip2:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: bzip2@1.0.6
-  ca-certificates-mozilla:
-    require: '%gcc@4.8.5'
-  cairo:
-    require: '%gcc@4.8.5'
-  cmake:
-    require: '@3.25.2%gcc@4.8.5'
-  coreutils:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: coreutils@8.22
-  cpio:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: cpio@2.11
-
-  ctffind:
-    require: '%gcc@4.8.5'
-  cuda:
-    externals:
-      - prefix: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/nvhpc-23.1-6barulbmh2l6pgbzulzcyta4kb57csgu/Linux_x86_64/23.1/cuda/
-        spec: cuda@12.0.0%nvhpc@23.1
-  curl:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: curl@7.29.0+ldap
-  cvs:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: cvs@1.11.23
-  diffutils:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: diffutils@3.3
-  doxygen:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: doxygen@1.8.5+graphviz~mscgen
-  expat:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: expat@1.6.0
-  file:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: file@5.11
-  findutils:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: findutils@4.5.11
-  flex:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: flex@2.5.37+lex
-  fltk:
-    require: '%gcc@4.8.5'
-  fontconfig:
-    require: '%gcc@4.8.5'
-  gams:
-    buildable: false
-    externals:
-      - prefix: /opt/psi/Tools/GAMS/31.1.1/gams31.1_linux_x64_64_sfx
-        spec: gams@31.1.1%gcc@4.8.5
-  gawk:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: gawk@4.0.2
-  gdbm:
-    require: '%gcc@4.8.5'
-  gettext:
-    require: '%gcc@4.8.5'
-  ghostscript:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: ghostscript@9.25
-  git:
-    require: '%gcc@4.8.5'
-    externals:
-      - prefix: /usr
-        spec: git@1.8.3.1~tcltk
-  glew:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: glew@1.10.0
-  gmake:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: gmake@3.82
-  groff:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: groff@1.22.2
-  harfbuzz:
-    require: '@5.1.0%gcc@12.1.0'
-  hcoll:
-    buildable: false
-    externals:
-      - prefix: /opt/mellanox/hcoll
-        spec: hcoll@3.9.1927
-  libbsd:
-    require: '%gcc@4.8.5'
-  libcroco:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: libcroco@0.6.13
-  libepoxy:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: libepoxy@0.0.0
-  libevent:
-    require: '%gcc@4.8.5'
-  libfuse:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: libfuse@3.6.1
-  libice:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: libice@6.3.0
-  libiconv:
-    require: '%gcc@4.8.5'
-  libidn2:
-    require: '%gcc@4.8.5'
-  libjpeg-turbo:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: libjpeg-turbo@62.1.0
-  libmd:
-    require: '%gcc@4.8.5'
-  libpciaccess:
-    require: '%gcc@4.8.5'
-  libpthread:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: libpthread@2.17
-  libpthread-stubs:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: libpthread-stubs@0.4
-  libreadline:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: libreadline@6.2
-  librsvg:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: librsvg@2.40.20
-  libsigsegv:
-    require: '%gcc@4.8.5'
-  libtiff:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: libtiff@5.2.0
-  libtool:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: libtool@2.4.2
-  libx11:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: libx11@6.3.0
-  libxext:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: libxext@6.4.0
-  libxft:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: libxft@2.3.2
-  libxml2:
-    require: '%gcc@4.8.5'
-  libxpm:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: libxpm@4.11.0
-  libxt:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: libxt@6.0.0
-  m4:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: m4@1.4.16
-  ncurses:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: ncurses@5.9.20130511
-  ninja:
-    require: '%gcc@4.8.5'
-  nlohmann-json:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: nlohmann-json@3.10.5
-  numactl:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: numactl@2.0.14
-  openblas:
-    require: '%gcc@4.8.5'
-  openmpi:
-    externals:
-      - prefix: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/nvhpc-23.1-6barulbmh2l6pgbzulzcyta4kb57csgu/Linux_x86_64/23.1/comm_libs/openmpi4/openmpi-4.0.5
-        spec: openmpi@4.0.5%nvhpc@23.1
-    require: 
-    - one_of: [
-        "openmpi@4.1.5%gcc schedulers=slurm fabrics=auto +pmi +cxx +cxx_exceptions +cuda +legacylaunchers",
-        "openmpi@4.0.5%gcc schedulers=slurm fabrics=auto +pmi +cxx +cxx_exceptions +cuda +legacylaunchers",
-        "openmpi@4.0.5%gcc",
-        "openmpi@4.0.5%nvhpc@23.1"
-    ]
-  openssh:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: openssh@7.4p1
-  openssl:
-    externals:
-      - prefix: /usr
-        spec: openssl@1.0.2k-fips
-  pcre2:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: pcre2@8.32
-  perl:
-    require: '%gcc@4.8.5'
-  pkg-config:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: pkg-config@0.27.1
-  py-fypp:
-    require: '%gcc@4.8.5'
-  python:
-    require: '%gcc@4.8.5'
-  readline:
-    require: '%gcc@4.8.5'
-  rsync:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: rsync@3.1.2
-  ruby:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: ruby@2.0.0p648
-  sed:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: sed@4.2.2
-  slurm:
-    require: '+pmix +hwloc +gtk +readline +restd +mariadb'
-  sqlite:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: sqlite@3.7.17
-  subversion:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: subversion@1.7.14
-  tar:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: tar@1.26
-  texinfo:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: texinfo@5.1
-  unuran:
-    require: '%gcc@4.8.5'
-  util-linux-uuid:
-    require: '%gcc@4.8.5'
-  util-macros:
-    require: '%gcc@4.8.5'
-  valgrind:
-    require: '%gcc@4.8.5'
-  xerces-c:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: xerces-c@3.1
-  xxhash:
-    require: '%gcc@4.8.5'
-  xz:
-    buildable: false
-    externals:
-      - prefix: /usr
-        spec: xz@5.2.2
-  zlib:
-    require: '%gcc@4.8.5'
-  zstd:
-    require: '%gcc@4.8.5'

env/rhel7/unstable/spack.yaml

@@ -1,140 +0,0 @@
-spack:
-  config:
-    build_stage:
-    - /scratch/spack/spack-stage
-    install_missing_compilers: true
-  concretizer:
-    unify: when_possible
-  include:
-  - ../sysconfigs/packages.yaml
-  - ../sysconfigs/compilers.yaml
-  - ../sysconfigs/modules.yaml
-  definitions:
-  - gcc_mpi:
-    - ^openmpi%gcc
-  - gcc_6.1.0_pckgs:
-    - trilinos +mpi+cuda cuda_arch=60 ~tpetra
-  - gcc_12.1.0_pckgs:
-    - gromacs +mpi
-    - h5hut +mpi
-    - lammps
-    - quantum-espresso hdf5=parallel
-    - trilinos
-  - intel_mpi:
-    - ^intel-oneapi-mpi@2021.8.0
-  - intel_pckgs:
-    - gromacs@2022.4
-  - nvhpc_mpi:
-    - ^openmpi%nvhpc
-  - nvhpc_pckgs:
-    - quantum-espresso +mpi+cuda hdf5=parallel
-  specs:
-  - matrix:
-    - [$gcc_12.1.0_pckgs]
-    - [$gcc_mpi]
-    - [^hdf5%gcc@12.1.0]
-    - [^openblas]
-    - ['%gcc@12.1.0']
-  - matrix:
-    - [$intel_pckgs]
-    - [$intel_mpi]
-    - [^intel-oneapi-mkl]
-    - ['%oneapi@2022.2.1']
-  - matrix:
-    - [$nvhpc_pckgs]
-    - [$nvhpc_mpi]
-    - [^hdf5%nvhpc@23.1]
-    - ['%nvhpc@23.1']
-  view: false
-  compilers:
-  - compiler:
-      environment: {}
-      extra_rpaths: []
-      flags: {}
-      modules: []
-      operating_system: rhel7
-      paths:
-        cc: /usr/bin/gcc
-        cxx: /usr/bin/g++
-        f77: /usr/bin/gfortran
-        fc: /usr/bin/gfortran
-      spec: gcc@4.8.5
-      target: x86_64
-  - compiler:
-      environment: {}
-      extra_rpaths: []
-      flags: {}
-      modules: []
-      operating_system: rhel7
-      paths:
-        cc: /opt/psi/Programming/gcc/6.1.0/bin/gcc
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